Y032-3948 Screening compound: 1-cyclohexyl-N-(4-fluoro-3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxamide

Y032-3948 Screening compound: 1-cyclohexyl-N-(4-fluoro-3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxamide
Y032-3948 Screening compound: 1-cyclohexyl-N-(4-fluoro-3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3948
1-cyclohexyl-N-(4-fluoro-3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y032-3948

Molecular Formula

C17H20FN3O4 (C17 H20 FN3 O4)

Compound Name

1-cyclohexyl-N-(4-fluoro-3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-cyclohexyl-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

[O-][N+](c(cc(cc1)NC(C(C2)CN(C3CCCCC3)C2=O)=O)c1F)=O

InChI

InChI=1S/C17H20FN3O4/c18-14-7-6-12(9-15(14)21(24)25)19-17(23)11-8-16(22)20(10-11)13-4-2-1-3-5-13/h6-7,9,11,13H,1-5,8,10H2,(H,19,23)/t11-/m0/s1

InChI Key

ZDHVOMOLQXMLHT-NSHDSACASA-N

MDL Number (MFCD)

MFCD07067793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-2.98

Polar Surface Area

72.993

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

Y032-3948 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-3948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3948?
Check Price and Availability of Y032-3948, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y032-3948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3948
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y032-3948 available by request